####################################### 
By using this module, you agree to comply with the Rosetta license available at 
/n/app/rosetta/3.13/LICENSE.md or
https://harvardmed.atlassian.net/wiki/spaces/O2/pages/1995112452/Rosetta+License 
The Rosetta license states that: 
- the software can only be used for non-profit academic research. 
- you are not allowed to redistribute the software. 
- you should share your Rosetta results with other non-profit academic
researchers. 
- you must cite/acknowledge Rosetta and the Developers in your publications. 
- if you modify the software, Rosetta may make similar modifications, and you
won't sue them. 
####################################### 
core.init: Checking for fconfig files in pwd and ./rosetta/flags 
core.init: Rosetta version: rosetta.source.release-280 r280 2021.16+release.8ee4f02 8ee4f02ac5768a8a339ffada74cb0ff5f778b3e6 https://www.rosettacommons.org 2021-04-20T20:57:38.289184
core.init: command: relax.default.linuxgccrelease -scorefile relax.sc @flags -suffix 7
basic.random.init_random_generator: 'RNG device' seed mode, using '/dev/urandom', seed=2058990312 seed_offset=0 real_seed=2058990312
basic.random.init_random_generator: RandomGenerator:init: Normal mode, seed=2058990312 RG_type=mt19937
core.init: Resolved executable path: /n/app/rosetta/3.13/source/build/src/release/linux/3.10/64/x86/gcc/4.8/default/relax.default.linuxgccrelease
core.init: Looking for database based on location of executable: /n/app/rosetta/3.13/database/
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: ref2015
core.scoring.etable: Starting energy table calculation
core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBPoly1D.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBFadeIntervals.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/HBEval.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/DonStrength.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/ref2015_params/AccStrength.csv
core.chemical.GlobalResidueTypeSet: Finished initializing fa_standard residue type set.  Created 986 residue types
core.chemical.GlobalResidueTypeSet: Total time to initialize 1.25 seconds.
basic.io.database: Database file opened: scoring/score_functions/rama/fd/all.ramaProb
basic.io.database: Database file opened: scoring/score_functions/rama/fd/prepro.ramaProb
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.all.txt
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.gly.txt
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.pro.txt
basic.io.database: Database file opened: scoring/score_functions/omega/omega_ppdep.valile.txt
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n
core.scoring.P_AA: shapovalov_lib::shap_p_aa_pp_smooth_level of 1( aka low_smooth ) got activated.
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/shapovalov/10deg/kappa131/a20.prop
protocols.relax.RelaxScriptManager: Reading relax scripts list from database.
protocols.relax.RelaxScriptManager: Looking for MonomerRelax2019.txt
protocols.relax.RelaxScriptManager: ================== Reading script file: /n/app/rosetta/3.13/database/sampling/relax_scripts/MonomerRelax2019.txt ==================
protocols.relax.RelaxScriptManager: repeat %%nrepeats%%
protocols.relax.RelaxScriptManager: coord_cst_weight 1.0
protocols.relax.RelaxScriptManager: scale:fa_rep 0.040
protocols.relax.RelaxScriptManager: repack
protocols.relax.RelaxScriptManager: scale:fa_rep 0.051
protocols.relax.RelaxScriptManager: min 0.01
protocols.relax.RelaxScriptManager: coord_cst_weight 0.5
protocols.relax.RelaxScriptManager: scale:fa_rep 0.265
protocols.relax.RelaxScriptManager: repack
protocols.relax.RelaxScriptManager: scale:fa_rep 0.280
protocols.relax.RelaxScriptManager: min 0.01
protocols.relax.RelaxScriptManager: coord_cst_weight 0.0
protocols.relax.RelaxScriptManager: scale:fa_rep 0.559
protocols.relax.RelaxScriptManager: repack
protocols.relax.RelaxScriptManager: scale:fa_rep 0.581
protocols.relax.RelaxScriptManager: min 0.01
protocols.relax.RelaxScriptManager: coord_cst_weight 0.0
protocols.relax.RelaxScriptManager: scale:fa_rep 1
protocols.relax.RelaxScriptManager: repack
protocols.relax.RelaxScriptManager: min 0.00001
protocols.relax.RelaxScriptManager: accept_to_best
protocols.relax.RelaxScriptManager: endrepeat
core.scoring.constraints.util: Constraint choice: thioether.cst
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed ubrsp5-wbp2_OXT.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... 
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB ubrsp5-wbp2_OXT.pdb
core.import_pose.import_pose: File 'ubrsp5-wbp2_OXT.pdb' automatically determined to be of type PDB
core.io.pose_from_sfr.PoseFromSFRBuilder: Adding undetected upper terminus type to residue 630,  630 C
core.conformation.Residue: [ WARNING ] Residue::inter_residue_connection_partner: Invalid residue connection, returning BOGUS ID: this_rsd= CYX 395 connid= 3 partner_seqpos= 0
core.conformation.Residue: [ WARNING ] missing an atom: 395  V1  that depends on a nonexistent polymer connection! 
core.conformation.Residue: [ WARNING ]  --> generating it using idealized coordinates.
core.conformation.Conformation: [ WARNING ] Failed to find a residue connection for residue 395 with connection point 3
core.scoring.constraints.ConstraintsIO: read constraints from thioether.cst
core.scoring.constraints.ConstraintsIO: Read in 5 constraints
basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
core.pack.dunbrack.RotamerLibrary: shapovalov_lib::shap_dun10_smooth_level of 1( aka lowest_smooth ) got activated.
core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /n/app/rosetta/3.13/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin
core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/n/app/rosetta/3.13/database/rotamer/shapovalov/StpDwn_0-0-0/Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.27 seconds to load from binary
protocols.relax.FastRelax: CMD: repeat  540.636  0  0  0.55
protocols.relax.FastRelax: CMD: coord_cst_weight  540.636  0  0  0.55
protocols.relax.FastRelax: CMD: scale:fa_rep  167.215  0  0  0.022
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 17648 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -876.157  0  0  0.022
protocols.relax.FastRelax: CMD: scale:fa_rep  -841.444  0  0  0.02805
core.optimization.Minimizer: [ WARNING ] LBFGS MAX CYCLES 2000 EXCEEDED, BUT FUNC NOT CONVERGED!
protocols.relax.FastRelax: CMD: min  -2518.91  11.0619  11.0619  0.02805
protocols.relax.FastRelax: CMD: coord_cst_weight  -2518.91  11.0619  11.0619  0.02805
protocols.relax.FastRelax: CMD: scale:fa_rep  -1488.45  11.0619  11.0619  0.14575
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 15430 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1597.19  11.0619  11.0619  0.14575
protocols.relax.FastRelax: CMD: scale:fa_rep  -1536.41  11.0619  11.0619  0.154
protocols.relax.FastRelax: CMD: min  -2172.47  11.6488  11.6488  0.154
protocols.relax.FastRelax: CMD: coord_cst_weight  -2172.47  11.6488  11.6488  0.154
protocols.relax.FastRelax: CMD: scale:fa_rep  -1889.43  11.6488  11.6488  0.30745
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14553 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1895.92  11.6488  11.6488  0.30745
protocols.relax.FastRelax: CMD: scale:fa_rep  -1874  11.6488  11.6488  0.31955
protocols.relax.FastRelax: CMD: min  -1972.29  12.3532  12.3532  0.31955
protocols.relax.FastRelax: CMD: coord_cst_weight  -1972.29  12.3532  12.3532  0.31955
protocols.relax.FastRelax: CMD: scale:fa_rep  -1739.19  12.3532  12.3532  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14040 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1739.62  12.3532  12.3532  0.55
protocols.relax.FastRelax: CMD: min  -1799.74  12.0486  12.0486  0.55
protocols.relax.FastRelax: MRP: 0  -1799.74  -1799.74  12.0486  12.0486  
protocols.relax.FastRelax: CMD: accept_to_best  -1799.74  12.0486  12.0486  0.55
protocols.relax.FastRelax: CMD: endrepeat  -1799.74  12.0486  12.0486  0.55
protocols.relax.FastRelax: CMD: coord_cst_weight  -1799.74  12.0486  12.0486  0.55
protocols.relax.FastRelax: CMD: scale:fa_rep  -2150.72  12.0486  12.0486  0.022
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 17080 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -2187.96  12.0486  12.0486  0.022
protocols.relax.FastRelax: CMD: scale:fa_rep  -2176.55  12.0486  12.0486  0.02805
protocols.relax.FastRelax: CMD: min  -2653.56  12.5829  12.5829  0.02805
protocols.relax.FastRelax: CMD: coord_cst_weight  -2653.56  12.5829  12.5829  0.02805
protocols.relax.FastRelax: CMD: scale:fa_rep  -1644.51  12.5829  12.5829  0.14575
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 15779 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1709.98  12.5829  12.5829  0.14575
protocols.relax.FastRelax: CMD: scale:fa_rep  -1648.27  12.5829  12.5829  0.154
protocols.relax.FastRelax: CMD: min  -2223.15  12.8867  12.8867  0.154
protocols.relax.FastRelax: CMD: coord_cst_weight  -2223.15  12.8867  12.8867  0.154
protocols.relax.FastRelax: CMD: scale:fa_rep  -1935.87  12.8867  12.8867  0.30745
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14512 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1939.38  12.8867  12.8867  0.30745
protocols.relax.FastRelax: CMD: scale:fa_rep  -1917.01  12.8867  12.8867  0.31955
protocols.relax.FastRelax: CMD: min  -2016.82  12.8553  12.8553  0.31955
protocols.relax.FastRelax: CMD: coord_cst_weight  -2016.82  12.8553  12.8553  0.31955
protocols.relax.FastRelax: CMD: scale:fa_rep  -1780.21  12.8553  12.8553  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14012 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1779.94  12.8553  12.8553  0.55
protocols.relax.FastRelax: CMD: min  -1835.23  12.9826  12.9826  0.55
protocols.relax.FastRelax: MRP: 1  -1835.23  -1835.23  12.9826  12.9826  
protocols.relax.FastRelax: CMD: accept_to_best  -1835.23  12.9826  12.9826  0.55
protocols.relax.FastRelax: CMD: endrepeat  -1835.23  12.9826  12.9826  0.55
protocols.relax.FastRelax: CMD: coord_cst_weight  -1835.23  12.9826  12.9826  0.55
protocols.relax.FastRelax: CMD: scale:fa_rep  -2193.03  12.9826  12.9826  0.022
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 16908 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -2233.27  12.9826  12.9826  0.022
protocols.relax.FastRelax: CMD: scale:fa_rep  -2224.18  12.9826  12.9826  0.02805
protocols.relax.FastRelax: CMD: min  -2693.68  12.9  12.9  0.02805
protocols.relax.FastRelax: CMD: coord_cst_weight  -2693.68  12.9  12.9  0.02805
protocols.relax.FastRelax: CMD: scale:fa_rep  -1662.73  12.9  12.9  0.14575
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 15846 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1725.61  12.9  12.9  0.14575
protocols.relax.FastRelax: CMD: scale:fa_rep  -1661.53  12.9  12.9  0.154
protocols.relax.FastRelax: CMD: min  -2254.95  13.632  13.632  0.154
protocols.relax.FastRelax: CMD: coord_cst_weight  -2254.95  13.632  13.632  0.154
protocols.relax.FastRelax: CMD: scale:fa_rep  -1964.09  13.632  13.632  0.30745
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14769 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1966.25  13.632  13.632  0.30745
protocols.relax.FastRelax: CMD: scale:fa_rep  -1943.6  13.632  13.632  0.31955
protocols.relax.FastRelax: CMD: min  -2035.07  13.7327  13.7327  0.31955
protocols.relax.FastRelax: CMD: coord_cst_weight  -2035.07  13.7327  13.7327  0.31955
protocols.relax.FastRelax: CMD: scale:fa_rep  -1793.5  13.7327  13.7327  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14209 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1793.95  13.7327  13.7327  0.55
protocols.relax.FastRelax: CMD: min  -1848.42  13.7059  13.7059  0.55
protocols.relax.FastRelax: MRP: 2  -1848.42  -1848.42  13.7059  13.7059  
protocols.relax.FastRelax: CMD: accept_to_best  -1848.42  13.7059  13.7059  0.55
protocols.relax.FastRelax: CMD: endrepeat  -1848.42  13.7059  13.7059  0.55
protocols.relax.FastRelax: CMD: coord_cst_weight  -1848.42  13.7059  13.7059  0.55
protocols.relax.FastRelax: CMD: scale:fa_rep  -2212.75  13.7059  13.7059  0.022
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 17263 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -2252.31  13.7059  13.7059  0.022
protocols.relax.FastRelax: CMD: scale:fa_rep  -2242.64  13.7059  13.7059  0.02805
protocols.relax.FastRelax: CMD: min  -2720.33  14.0611  14.0611  0.02805
protocols.relax.FastRelax: CMD: coord_cst_weight  -2720.33  14.0611  14.0611  0.02805
protocols.relax.FastRelax: CMD: scale:fa_rep  -1659.45  14.0611  14.0611  0.14575
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 16006 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1715.25  14.0611  14.0611  0.14575
protocols.relax.FastRelax: CMD: scale:fa_rep  -1648.34  14.0611  14.0611  0.154
protocols.relax.FastRelax: CMD: min  -2264.34  14.0441  14.0441  0.154
protocols.relax.FastRelax: CMD: coord_cst_weight  -2264.34  14.0441  14.0441  0.154
protocols.relax.FastRelax: CMD: scale:fa_rep  -1966.45  14.0441  14.0441  0.30745
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14636 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1969.18  14.0441  14.0441  0.30745
protocols.relax.FastRelax: CMD: scale:fa_rep  -1946.01  14.0441  14.0441  0.31955
protocols.relax.FastRelax: CMD: min  -2041.01  13.963  13.963  0.31955
protocols.relax.FastRelax: CMD: coord_cst_weight  -2041.01  13.963  13.963  0.31955
protocols.relax.FastRelax: CMD: scale:fa_rep  -1797.86  13.963  13.963  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 13890 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1798.49  13.963  13.963  0.55
protocols.relax.FastRelax: CMD: min  -1851.34  13.9323  13.9323  0.55
protocols.relax.FastRelax: MRP: 3  -1851.34  -1851.34  13.9323  13.9323  
protocols.relax.FastRelax: CMD: accept_to_best  -1851.34  13.9323  13.9323  0.55
protocols.relax.FastRelax: CMD: endrepeat  -1851.34  13.9323  13.9323  0.55
protocols.relax.FastRelax: CMD: coord_cst_weight  -1851.34  13.9323  13.9323  0.55
protocols.relax.FastRelax: CMD: scale:fa_rep  -2219.03  13.9323  13.9323  0.022
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 16801 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -2258.03  13.9323  13.9323  0.022
protocols.relax.FastRelax: CMD: scale:fa_rep  -2247.94  13.9323  13.9323  0.02805
protocols.relax.FastRelax: CMD: min  -2729.5  14.2267  14.2267  0.02805
protocols.relax.FastRelax: CMD: coord_cst_weight  -2729.5  14.2267  14.2267  0.02805
protocols.relax.FastRelax: CMD: scale:fa_rep  -1674.13  14.2267  14.2267  0.14575
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 15955 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1729.53  14.2267  14.2267  0.14575
protocols.relax.FastRelax: CMD: scale:fa_rep  -1662.51  14.2267  14.2267  0.154
protocols.relax.FastRelax: CMD: min  -2271.04  14.1282  14.1282  0.154
protocols.relax.FastRelax: CMD: coord_cst_weight  -2271.04  14.1282  14.1282  0.154
protocols.relax.FastRelax: CMD: scale:fa_rep  -1969.12  14.1282  14.1282  0.30745
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 14472 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1971.49  14.1282  14.1282  0.30745
protocols.relax.FastRelax: CMD: scale:fa_rep  -1948.07  14.1282  14.1282  0.31955
protocols.relax.FastRelax: CMD: min  -2042.21  14.0728  14.0728  0.31955
protocols.relax.FastRelax: CMD: coord_cst_weight  -2042.21  14.0728  14.0728  0.31955
protocols.relax.FastRelax: CMD: scale:fa_rep  -1794.56  14.0728  14.0728  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 13834 rotamers at 630 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating DensePDInteractionGraph
protocols.relax.FastRelax: CMD: repack  -1795.66  14.0728  14.0728  0.55
protocols.relax.FastRelax: CMD: min  -1860.76  14.0534  14.0534  0.55
protocols.relax.FastRelax: MRP: 4  -1860.76  -1860.76  14.0534  14.0534  
protocols.relax.FastRelax: CMD: accept_to_best  -1860.76  14.0534  14.0534  0.55
protocols.relax.FastRelax: CMD: endrepeat  -1860.76  14.0534  14.0534  0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.jd2.JobDistributor: relax_ubrsp5-wbp2_OXT7_0001 reported success in 4921 seconds
protocols.jd2.JobDistributor: no more batches to process... 
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 4921 seconds
basic.citation_manager.CitationManager: 
The following Rosetta modules were used during this run of Rosetta, and should be cited:

FastRelax Mover's citation(s):
Khatib F, Cooper S, Tyka MD, Xu K, Makedon I, Popovic Z, Baker D, and Players F.  (2011).  Algorithm discovery by protein folding game players.  Proc Natl Acad Sci USA 108(47):18949-53.  doi: 10.1073/pnas.1115898108.

Maguire JB, Haddox HK, Strickland D, Halabiya SF, Coventry B, Griffin JR, Pulavarti SVSRK, Cummins M, Thieker DF, Klavins E, Szyperski T, DiMaio F, Baker D, and Kuhlman B.  (2020).  Perturbing the energy landscape for improved packing during computational protein design..  Proteins "in press".  doi: 10.1002/prot.26030.


